2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one

C26H29N3O — CID 69184928

IUPAC2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c27-24(20-21-10-4-1-5-11-21)26(30)29-18-16-28(17-19-29)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20,27H2
InChIKeyAHRQMOGUKLJLCH-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.49
Rot. Bonds6

About 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one

2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 69184928) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID69184928
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c27-24(20-21-10-4-1-5-11-21)26(30)29-18-16-28(17-19-29)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20,27H2
InChIKeyAHRQMOGUKLJLCH-UHFFFAOYSA-N
XLogP3.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
S-[1-(4-benzhydrylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl] ethanethioate
CID 174553408
2-amino-3-phenyl-1-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119899884
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
CID 4040755
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one;N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-3-pyridin-3-ylpropanamide;methane;3-pyridin-3-ylpropanoic acid
CID 162158069
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one (CID 69184928) is 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is AHRQMOGUKLJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c27-24(20-21-10-4-1-5-11-21)26(30)29-18-16-28(17-19-29)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20,27H2.
What are the key properties of 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 399.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 69184928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).